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Annual Review of Physical Chemistry
|
April 5, 2017
The Hydrated Electron
John M Herbert, Marc P Coons
The Journal of Chemical Physics
|
June 17, 2018
Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface
Marc P Coons, John M Herbert
The Journal of Physical Chemistry Letters
|
June 8, 2022
Detection and Correction of Delocalization Errors for Electron and Hole Polarons Using Density-Corrected DFT
Bhaskar Rana, Marc P Coons, John M Herbert
Journal of the American Chemical Society
|
August 10, 2016
The Hydrated Electron at the Surface of Neat Liquid Water Appears To Be Indistinguishable from the Bulk Species
Marc P Coons, Zhi-Qiang You, John M Herbert
The Journal of Chemical Physics
|
November 17, 2019
Erratum: "Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface" [J. Chem. Phys. 148, 222834 (2018)]
Suranjan K Paul, Marc P Coons, John M Herbert
The Journal of Physical Chemistry. A
|
March 1, 2014
Optical spectroscopy of the bulk and interfacial hydrated electron from ab initio calculations
Frank Uhlig, John M Herbert, Marc P Coons, et al.
The Journal of Chemical Physics
|
July 23, 2021
Scaling up electronic structure calculations on quantum computers: The frozen natural orbital based method of increments
Prakash Verma, Lee Huntington, Marc P Coons, et al.
Nature Communications
|
January 15, 2024
Author Correction: Spectroscopy and dynamics of the hydrated electron at the water/air interface
Caleb J C Jordan, Marc P Coons, John M Herbert, et al.
Nature Communications
|
January 3, 2024
Spectroscopy and dynamics of the hydrated electron at the water/air interface
Caleb J C Jordan, Marc P Coons, John M Herbert, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Annual Review of Physical Chemistry
|
April 5, 2017
The Hydrated Electron
John M Herbert, Marc P Coons
The Journal of Chemical Physics
|
June 17, 2018
Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface
Marc P Coons, John M Herbert
The Journal of Physical Chemistry Letters
|
June 8, 2022
Detection and Correction of Delocalization Errors for Electron and Hole Polarons Using Density-Corrected DFT
Bhaskar Rana, Marc P Coons, John M Herbert
Journal of the American Chemical Society
|
August 10, 2016
The Hydrated Electron at the Surface of Neat Liquid Water Appears To Be Indistinguishable from the Bulk Species
Marc P Coons, Zhi-Qiang You, John M Herbert
The Journal of Chemical Physics
|
November 17, 2019
Erratum: "Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface" [J. Chem. Phys. 148, 222834 (2018)]
Suranjan K Paul, Marc P Coons, John M Herbert
The Journal of Physical Chemistry. A
|
March 1, 2014
Optical spectroscopy of the bulk and interfacial hydrated electron from ab initio calculations
Frank Uhlig, John M Herbert, Marc P Coons, et al.
The Journal of Chemical Physics
|
July 23, 2021
Scaling up electronic structure calculations on quantum computers: The frozen natural orbital based method of increments
Prakash Verma, Lee Huntington, Marc P Coons, et al.
Nature Communications
|
January 15, 2024
Author Correction: Spectroscopy and dynamics of the hydrated electron at the water/air interface
Caleb J C Jordan, Marc P Coons, John M Herbert, et al.
Nature Communications
|
January 3, 2024
Spectroscopy and dynamics of the hydrated electron at the water/air interface
Caleb J C Jordan, Marc P Coons, John M Herbert, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Page
of 1